| SpectraBase Spectrum ID |
IXCiZ1ILfQ6 |
| Name |
3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[(phenylmethyl)thio]-6-(2-thienyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.036518539 u |
| Formula |
C23H15ClN2S2 |
| InChI |
InChI=1S/C23H15ClN2S2/c24-18-10-8-17(9-11-18)19-13-21(22-7-4-12-27-22)26-23(20(19)14-25)28-15-16-5-2-1-3-6-16/h1-13H,15H2 |
| InChIKey |
NSHLUHSMOFGPBR-UHFFFAOYSA-N |
| Molecular Weight |
418.960 g/mol |
| SMILES |
C1(=C(N=C(C=C1C1=CC=C(C=C1)Cl)C=1SC=CC1)SCC1=CC=CC=C1)C#N |
![3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[(phenylmethyl)thio]-6-(2-thienyl)-](/api/spectrum/IXCiZ1ILfQ6/structure.png?h=300&w=458 "3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-2-[(phenylmethyl)thio]-6-(2-thienyl)-")
